Molecule

ID:95091

General Information
Structure
Molecular Formula
C₇H₃F₂NS
Molecular Mass
171.1672264
Exact Mass
170.99542654
Charge
0
InChI
InChI=1S/C7H3F2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChIKey
QVIDXDRFMDPVLA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1N=C=S)F
Isomeric Smiles
N(=C=S)c1c(ccc(c1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.280475
LogD (pH = 7.4)
3.280475
Log P
3.280475
Molar Refractivity
43.5537
Polarizability
15.405092
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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